3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol

C7H14O4 — CID 123934706

IUPAC3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
SMILESCC1C(O)C(O)C(CO)C1O
InChIInChI=1S/C7H14O4/c1-3-5(9)4(2-8)7(11)6(3)10/h3-11H,2H2,1H3
InChIKeyLHHIGPRBOMSWAZ-UHFFFAOYSA-N
MW162.18 g/mol
LogP-1.67
Rot. Bonds1

About 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol

3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol (PubChem CID 123934706) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
PubChem CID123934706
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol
SMILESCC1C(O)C(O)C(CO)C1O
InChIInChI=1S/C7H14O4/c1-3-5(9)4(2-8)7(11)6(3)10/h3-11H,2H2,1H3
InChIKeyLHHIGPRBOMSWAZ-UHFFFAOYSA-N
XLogP-1.67
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol?
The IUPAC name of 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol (CID 123934706) is 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol.
What is the SMILES notation for 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol?
The canonical SMILES for 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol is CC1C(O)C(O)C(CO)C1O.
What is the InChIKey of 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol?
The InChIKey is LHHIGPRBOMSWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-3-5(9)4(2-8)7(11)6(3)10/h3-11H,2H2,1H3.
What are the key properties of 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol?
3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol has a molecular weight of 162.18 g/mol, XLogP of -1.67, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methylcyclopentane-1,2,4-triol is sourced from PubChem (CID 123934706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).